3-methyl-4-propoxyoxolane

C8H16O2 — CID 142247239

IUPAC3-methyl-4-propoxyoxolane
SMILESCCCOC1COCC1C
InChIInChI=1S/C8H16O2/c1-3-4-10-8-6-9-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyBTOHDVAQCQTSJZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds3

About 3-methyl-4-propoxyoxolane

3-methyl-4-propoxyoxolane (PubChem CID 142247239) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methyl-4-propoxyoxolane.

Molecular Properties

Compound Name3-methyl-4-propoxyoxolane
PubChem CID142247239
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methyl-4-propoxyoxolane
SMILESCCCOC1COCC1C
InChIInChI=1S/C8H16O2/c1-3-4-10-8-6-9-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyBTOHDVAQCQTSJZ-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propoxyoxolane?
The IUPAC name of 3-methyl-4-propoxyoxolane (CID 142247239) is 3-methyl-4-propoxyoxolane.
What is the SMILES notation for 3-methyl-4-propoxyoxolane?
The canonical SMILES for 3-methyl-4-propoxyoxolane is CCCOC1COCC1C.
What is the InChIKey of 3-methyl-4-propoxyoxolane?
The InChIKey is BTOHDVAQCQTSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-10-8-6-9-5-7(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-4-propoxyoxolane?
3-methyl-4-propoxyoxolane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propoxyoxolane is sourced from PubChem (CID 142247239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).